2-(4-chlorophenyl)-4-ethoxy-6-methyl-pyrimidine; ethane; propane; thiophosphate

Systemtic Name: 2-(4-chlorophenyl)-4-ethoxy-6-methyl-pyrimidine; ethane; propane; thiophosphate Openeye Name: 2-(4-chlorophenyl)-4-ethoxy-6-methyl-pyrimidine; ethane; propane; thiophosphate CAS Name: 2-(4-chlorophenyl)-4-ethoxy-6-methylpyrimidine; ethane; propane; thiophosphate IUPAC Name: 2-(4-chlorophenyl)-4-ethoxy-6-methylpyrimidine; ethane; propane; thiophosphate Traditional Name: 2-(4-chlorophenyl)-4-ethoxy-6-methyl-pyrimidine; ethane; n-propane; thiophosphate Formula: C18H27ClN2O4PS-3 MolecularWeight: 433.909741

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCC.CCOC1=NC(=NC(=C1)C)C2=CC=C(C=C2)Cl.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CCC.CCOC1=NC(=NC(=C1)C)C2=CC=C(C=C2)Cl.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C13H13ClN2O.C3H8.C2H6.H3O3PS/c1-3-17-12-8-9(2)15-13(16-12)10-4-6-11(14)7-5-10;1-3-2;1-2;1-4(2,3)5/h4-8H,3H2,1-2H3;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3